Information card for entry 2213805

Structure parameters

• Chemical name: (Benzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C17 H14 Cl Cu N3 O2
• Calculated formula: C17 H14 Cl Cu N3 O2
• SMILES: c1cccc2[n]1[Cu]1(Cl)([O]=C(c3ccccc3)O1)[n]1ccccc1N2
• Title of publication: (Benzoato-κ^2^<i>O</i>,<i>O</i>')chlorido(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Okabe, Nobuo; Tsuji, Akio; Yodoshi, Masahiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1756 - m1757
• a: 19.31 ± 0.02 Å
• b: 11.77 ± 0.01 Å
• c: 6.958 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No